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BD hit profiles (insets) and corresponding dFeFe histograms for Mb(wt) and Mb(+4) mutants with −qMbqb5 = 19.5. The counts/bin was normalized to the total number of hits and the resulting histograms were fit to a sum of two Gaussians (Table 1). Conditions: OO reaction criterion with a 4.0 Å distance cutoff; pH7; μ = 18 mM; 20°C; 104 trajectories; 0.1 Å distance binning. To improve the signal/noise on the histogram for the Mb(wt) complex, a simulation with 106 trajectories was used.
